3-ethoxyphenol

• ChemBase ID: 109064
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: CCOc1cccc(O)c1
• Canonical SMILES: CCOc1cccc(c1)O
• InChI: InChI=1S/C8H10O2/c1-2-10-8-5-3-4-7(9)6-8/h3-6,9H,2H2,1H3
• InChIKey: VBIKLMJHBGFTPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxyphenol
• IUPAC Traditional name: M-ethoxyphenol
• Synonyms: m-ETHOXYPHENOL; 3-Ethoxyphenol; Resorcinol monoethyl ether; 3-Ethoxyphenol; 3-乙氧基苯酚

Database IDs

• CAS Number: 621-34-1
• EC Number: 210-681-8
• MDL Number: MFCD00016450
• PubChem SID: 162094735
• PubChem CID: 69306

CALCULATED PROPERTIES

• Acid pKa: 9.486525
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8687726
• LogD (pH = 7.4): 1.8652949
• Log P: 1.8688172
• Molar Refractivity: 39.2507 cm^3
• Polarizability: 15.288709 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 28-31°C
• Boiling Point: 247°C
• Flash Point: >93°C(199°F)
• Density: 1.070
• Refractive Index: 1.5410

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 98%